gold(1+);2-hydroxy-3-sulfanylpropane-1-sulfonate

C3H7AuO4S2 — CID 71587296

IUPACgold(1+);2-hydroxy-3-sulfanylpropane-1-sulfonate
SMILESO=S(=O)([O-])CC(O)CS.[Au+]
InChIInChI=1S/C3H8O4S2.Au/c4-3(1-8)2-9(5,6)7;/h3-4,8H,1-2H2,(H,5,6,7);/q;+1/p-1
InChIKeyULXIRCUSBPAVNN-UHFFFAOYSA-M
MW368.19 g/mol
LogP-1.18
Rot. Bonds3

About gold(1+);2-hydroxy-3-sulfanylpropane-1-sulfonate

gold(1+);2-hydroxy-3-sulfanylpropane-1-sulfonate (PubChem CID 71587296) has the molecular formula C3H7AuO4S2 and a molecular weight of 368.19 g/mol. Its IUPAC name is gold(1+);2-hydroxy-3-sulfanylpropane-1-sulfonate.

Molecular Properties

Compound Namegold(1+);2-hydroxy-3-sulfanylpropane-1-sulfonate
PubChem CID71587296
Molecular FormulaC3H7AuO4S2
Molecular Weight368.19 g/mol
Exact Mass367.95
IUPAC Namegold(1+);2-hydroxy-3-sulfanylpropane-1-sulfonate
SMILESO=S(=O)([O-])CC(O)CS.[Au+]
InChIInChI=1S/C3H8O4S2.Au/c4-3(1-8)2-9(5,6)7;/h3-4,8H,1-2H2,(H,5,6,7);/q;+1/p-1
InChIKeyULXIRCUSBPAVNN-UHFFFAOYSA-M
XLogP-1.18
TPSA77.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.19
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of gold(1+);2-hydroxy-3-sulfanylpropane-1-sulfonate?
The IUPAC name of gold(1+);2-hydroxy-3-sulfanylpropane-1-sulfonate (CID 71587296) is gold(1+);2-hydroxy-3-sulfanylpropane-1-sulfonate.
What is the SMILES notation for gold(1+);2-hydroxy-3-sulfanylpropane-1-sulfonate?
The canonical SMILES for gold(1+);2-hydroxy-3-sulfanylpropane-1-sulfonate is O=S(=O)([O-])CC(O)CS.[Au+].
What is the InChIKey of gold(1+);2-hydroxy-3-sulfanylpropane-1-sulfonate?
The InChIKey is ULXIRCUSBPAVNN-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H8O4S2.Au/c4-3(1-8)2-9(5,6)7;/h3-4,8H,1-2H2,(H,5,6,7);/q;+1/p-1.
What are the key properties of gold(1+);2-hydroxy-3-sulfanylpropane-1-sulfonate?
gold(1+);2-hydroxy-3-sulfanylpropane-1-sulfonate has a molecular weight of 368.19 g/mol, XLogP of -1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for gold(1+);2-hydroxy-3-sulfanylpropane-1-sulfonate is sourced from PubChem (CID 71587296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).